GNPS Library Spectrum CCMSLIB00005720331

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720331
Compound NameADENINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed190
CAS Number 73-24-5
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=NC2=NC=NC(=C2N1)N
InChI"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720331
Precursor M/Z136.062
Exact Mass135.055
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPSU-MSMLS
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentADENINEAndrew D. Patterson[M+H]+Philip Smith136.062mpanitchpakdi1902020-04-10 13:26:10.0

Spectrum ID Ratings